{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cr" "Cr" ] } "a" { "source-value" [ 4.19217 3.911279 3.737194 3.610712 3.511313 3.429419 3.359778 3.299196 3.245586 3.197507 3.153924 3.114067 3.077349 3.043312 3.011591 2.98189 2.953967 2.927622 2.902686 2.879015 2.856488 2.834999 2.814456 2.79478 2.774888 2.75439 2.733247 2.711416 2.688853 2.665506 2.641318 2.616227 2.590162 2.563046 2.53479 2.505293 2.474441 2.442105 2.408134 2.372353 2.33456 2.294514 2.25193 2.206463 2.157695 2.105109 2.048057 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.19217e-10 3.9112790000000003e-10 3.7371940000000004e-10 3.610712e-10 3.511313e-10 3.4294190000000004e-10 3.359778e-10 3.299196e-10 3.245586e-10 3.197507e-10 3.153924e-10 3.114067e-10 3.077349e-10 3.043312e-10 3.0115910000000005e-10 2.98189e-10 2.953967e-10 2.927622e-10 2.9026860000000004e-10 2.879015e-10 2.856488e-10 2.8349989999999997e-10 2.814456e-10 2.79478e-10 2.7748879999999997e-10 2.75439e-10 2.733247e-10 2.711416e-10 2.688853e-10 2.665506e-10 2.641318e-10 2.616227e-10 2.590162e-10 2.563046e-10 2.5347900000000003e-10 2.505293e-10 2.4744410000000004e-10 2.4421050000000003e-10 2.408134e-10 2.372353e-10 2.33456e-10 2.294514e-10 2.2519300000000003e-10 2.206463e-10 2.157695e-10 2.105109e-10 2.0480570000000001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.561951 1.17713 1.72465 2.19666 2.56588 2.84586 3.06247 3.24279 3.39851 3.53328 3.64767 3.74397 3.82493 3.89275 3.94915 3.99548 4.03301 4.06308 4.08724 4.1068 4.12261 4.13454 4.14197 4.14449 4.14183 4.13361 4.1194 4.09861 4.07022 4.03281 3.98464 3.92346 3.84719 3.754 3.63955 3.49294 3.30663 3.07449 2.79419 2.47196 2.12005 1.76052 1.43669 1.24251 1.42385 2.62264 6.42492 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.003447616529339e-20 1.8859701811804199e-19 2.7631939318281e-19 3.5194373248424397e-19 4.1109929816479197e-19 4.559570395635239e-19 4.906617876325979e-19 5.195522366968859e-19 5.44501331241534e-19 5.66093865737952e-19 5.84421164254278e-19 5.998501252396979e-19 6.12821347268562e-19 6.236873092003499e-19 6.3272358541611e-19 6.40146469761432e-19 6.461594386688339e-19 6.50977183807272e-19 6.548480425550161e-19 6.579819000511199e-19 6.605149413094739e-19 6.62426338033836e-19 6.636167552728979e-19 6.64020503784666e-19 6.635943248000219e-19 6.62277335606874e-19 6.600006426099599e-19 6.56669717387874e-19 6.52121137923948e-19 6.461273951361539e-19 6.3840971029017595e-19 6.286075936433639e-19 6.163877924558459e-19 6.014571084036e-19 5.831201968274699e-19 5.59630685196396e-19 5.29780532328342e-19 4.92587603946666e-19 4.47678592895646e-19 3.96051655218264e-19 3.3966945729117e-19 2.82066400768968e-19 2.30183114830146e-19 1.9907204895113398e-19 2.2812592003209e-19 4.20193252739376e-19 1.029385669931928e-18 ] } }